| commit | c900b35643a9593a6a0cff000cb0b10232769279 | |
| author | Berk Hess <hess@kth.se> | |
| Mon, 16 Dec 2019 09:50:06 +0000 (16 10:50 +0100) | ||
| committer | Artem Zhmurov <zhmurov@gmail.com> | |
| Tue, 17 Dec 2019 23:53:10 +0000 (18 00:53 +0100) | ||
| tree | 08e49f6aad8381dd42dae19409ee4b5772590298 | treesnapshot (tar.gz zip) |
| parent | e38595756c1b83d34110a570342a5596becfd601 | commitdiff |
Add note for COM removal with position restraints
Center of mass motion removal in combination with position restraints
will often cause artifacts. We should (automatically) disable this,
but this will disrupt workflows, so for now grompp will issue a note.
Refs #3244
Change-Id: If983e918d26f0af2fab96d44d0f2b1fc3cedb901
Center of mass motion removal in combination with position restraints
will often cause artifacts. We should (automatically) disable this,
but this will disrupt workflows, so for now grompp will issue a note.
Refs #3244
Change-Id: If983e918d26f0af2fab96d44d0f2b1fc3cedb901
| src/gromacs/gmxpreprocess/readir.cpp | diffblobblamehistory |